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CAS 766557-60-2 2-ETHOXY-3-IODO-PYRIDINE molecular structure lightbox
CAS RN: 766557-60-2

2-ETHOXY-3-IODO-PYRIDINE

  • Product code: SSC-186107
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 766557-60-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

766557-60-2 / 1-methylpyridin-1-ium-4-carbaldehyde iodide

Standard CAS: 766557-60-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
766557-60-2
Multi CAS
Yes
Molecular Formula
C7H8InO
Molecular Weight
249.050000
Exact Mass
248.965060
InChI
InChI=1S/C7H8INO/c1-2-10-7-6(8)4-3-5-9-7/h3-5H,2H2,1H3
InChIKey
QOCXFQFGXYWCHJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
33.01
TPSA
20.95

LogP / Solubility

WLOGP
-2.67
MLOGP
-2.35
XLogP3
-2.67
Consensus LogP
-2.56
Log S (ESOL)
-0.08
Class (ESOL)
Very soluble
Log S (Ali)
0.33
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.82
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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